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38660-35-4 | 3',6'-Bis(diethylamino)-2-phenylspiro[isoindoline-1,9'-xanthen]-3-one
CAS No: 38660-35-4 Catalog No: AG003IQ0 MDL No:
Product Description
Catalog Number:
AG003IQ0
Chemical Name:
3',6'-Bis(diethylamino)-2-phenylspiro[isoindoline-1,9'-xanthen]-3-one
CAS Number:
38660-35-4
Molecular Formula:
C34H35N3O2
Molecular Weight:
517.6606
IUPAC Name:
3',6'-bis(diethylamino)-2-phenylspiro[isoindole-3,9'-xanthene]-1-one
InChI:
InChI=1S/C34H35N3O2/c1-5-35(6-2)25-18-20-29-31(22-25)39-32-23-26(36(7-3)8-4)19-21-30(32)34(29)28-17-13-12-16-27(28)33(38)37(34)24-14-10-9-11-15-24/h9-23H,5-8H2,1-4H3
InChI Key:
IMYNRKANUSOMGU-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)Oc1c(C32c2ccccc2C(=O)N3c2ccccc2)ccc(c1)N(CC)CC)CC
EC Number:
254-066-2
NSC Number:
75508
Properties
Complexity:
798
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.273g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
517.673g/mol
Monoisotopic Mass:
517.273g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
Literature
| Title | Journal |
|---|---|
| 3',6'-Bis(diethyl-amino)-2-phenyl-spiro[isoindoline-1,9'-xanthen]-3-one. | Acta crystallographica. Section E, Structure reports online 20090701 |
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